Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | FC(F)(F)c1cccc(c1)C(=O)Nc5cccc(c2ccnc3c(cnn23)c4ccc(cc4)CN(C)C)c5 |
SMILES_CANONICAL | CACTVS | 3.352 | CN(C)Cc1ccc(cc1)c2cnn3c(ccnc23)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4 |
SMILES | CACTVS | 3.352 | CN(C)Cc1ccc(cc1)c2cnn3c(ccnc23)c4cccc(NC(=O)c5cccc(c5)C(F)(F)F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)Cc1ccc(cc1)c2cnn3c2nccc3c4cccc(c4)NC(=O)c5cccc(c5)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38) |
InChIKey | InChI | 1.03 | AIWJVLQNYNCDSL-UHFFFAOYSA-N |